N-[1-(2-azanylethyl)piperidin-4-yl]-1-[2-ethoxyethoxy(quinolin-8-yl)methyl]-4-methyl-benzimidazol-2-amine hydrate

Systemtic Name: N-[1-(2-azanylethyl)piperidin-4-yl]-1-[2-ethoxyethoxy(quinolin-8-yl)methyl]-4-methyl-benzimidazol-2-amine hydrate Openeye Name: N-[1-(2-aminoethyl)-4-piperidyl]-1-[2-ethoxyethoxy(8-quinolyl)methyl]-4-methyl-benzimidazol-2-amine hydrate CAS Name: N-[1-(2-aminoethyl)-4-piperidinyl]-1-[2-ethoxyethoxy(8-quinolinyl)methyl]-4-methyl-2-benzimidazolamine hydrate IUPAC Name: N-[1-(2-aminoethyl)piperidin-4-yl]-1-[2-ethoxyethoxy(quinolin-8-yl)methyl]-4-methylbenzimidazol-2-amine hydrate Traditional Name: [1-(2-aminoethyl)-4-piperidyl]-[1-[2-ethoxyethoxy(8-quinolyl)methyl]-4-methyl-benzimidazol-2-yl]amine hydrate Formula: C29H40N6O3 MolecularWeight: 520.6663

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(C1=CC=CC2=C1N=CC=C2)N3C4=CC=CC(=C4N=C3NC5CCN(CC5)CCN)C.O

Isomeric SMILES

CCOCCOC(C1=CC=CC2=C1N=CC=C2)N3C4=CC=CC(=C4N=C3NC5CCN(CC5)CCN)C.O

InChI

InChI=1S/C29H38N6O2.H2O/c1-3-36-19-20-37-28(24-10-5-8-22-9-6-15-31-27(22)24)35-25-11-4-7-21(2)26(25)33-29(35)32-23-12-16-34(17-13-23)18-14-30;/h4-11,15,23,28H,3,12-14,16-20,30H2,1-2H3,(H,32,33);1H2